N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine

C11H20N2 — CID 70518349

IUPACN,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine
SMILESCC1=CC=NC(CCCN(C)C)C1
InChIInChI=1S/C11H20N2/c1-10-6-7-12-11(9-10)5-4-8-13(2)3/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyMXZCFRMJULWZRN-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.12
Rot. Bonds4

About N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine

N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine (PubChem CID 70518349) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine
PubChem CID70518349
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine
SMILESCC1=CC=NC(CCCN(C)C)C1
InChIInChI=1S/C11H20N2/c1-10-6-7-12-11(9-10)5-4-8-13(2)3/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyMXZCFRMJULWZRN-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N,N-dimethyl-6,7,8,8a-tetrahydroquinolin-7-amine
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N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 57148887
4-Pentyl-2,3-dihydropyridine
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5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
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4-Ethyl-2-methyl-2,3-dihydropyridine
CID 89150349
N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
CID 90841481
12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine
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(Z)-2-(2,3-dihydropyridin-2-ylmethyl)-N-methylbut-2-en-1-imine
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CID 142878225

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine (CID 70518349) is N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine is CC1=CC=NC(CCCN(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine?
The InChIKey is MXZCFRMJULWZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-6-7-12-11(9-10)5-4-8-13(2)3/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine?
N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine is sourced from PubChem (CID 70518349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).